| Stem definition | Drug id | CAS RN |
|---|---|---|
| bronchodilators, phenethylamine derivatives | 2848 | 81801-12-9 |
| Dose | Unit | Route |
|---|---|---|
| 0.40 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 7 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.64 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 3 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.97 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 7.70 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 19.87 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
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| Source | Code | Description |
|---|---|---|
| ATC | C01CX07 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Other cardiac stimulants |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D000322 | Adrenergic Agonists |
| MeSH PA | D058665 | Adrenergic beta-1 Receptor Agonists |
| MeSH PA | D000318 | Adrenergic beta-Agonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.48 | acidic |
| pKa2 | 13.78 | acidic |
| pKa3 | 7.77 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | Kd | 7.75 | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | Kd | 6.18 | CHEMBL | |||||
| Beta-3 adrenergic receptor | GPCR | Kd | 4.70 | CHEMBL |
| ID | Source |
|---|---|
| N0000167043 | NUI |
| D06328 | KEGG_DRUG |
| C0078595 | UMLSCUI |
| CHEBI:10055 | CHEBI |
| CHEMBL75753 | ChEMBL_ID |
| DB13781 | DRUGBANK_ID |
| D017307 | MESH_DESCRIPTOR_UI |
| 155774 | PUBCHEM_CID |
| 538 | IUPHAR_LIGAND_ID |
| 5271 | INN_ID |
| 73210-73-8 | SECONDARY_CAS_RN |
| 7HE0JQL703 | UNII |
| 39801 | RXNORM |
| 004066 | NDDF |
| 004067 | NDDF |
| 349941002 | SNOMEDCT_US |
| 418668004 | SNOMEDCT_US |
| CHEMBL1329567 | ChEMBL_ID |
| CHEMBL2104466 | ChEMBL_ID |
| CHEMBL1256945 | ChEMBL_ID |
None